Application of a Fluorescent Biosensor in Determining the Binding of 5-HT to Calmodulin

Low-Density Lipoproteins and Human Serum Albumin as Carriers of Squalenoylated Drugs: Insights from Molecular Simulations

(2018) Semen O. Yesylevskyy et al.   MOLECULAR PHARMACEUTICS

Targeting the dopamine D3 receptor: an overview of drug design strategies

(2016) Antoni Cortés et al.   Expert Opinion on Drug Discovery

Drug Delivery Systems and Combination Therapy by Using Vinca Alkaloids

(2015) Chun-Ting Lee et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Insights into molecular interactions between CaM and its inhibitors from molecular dynamics simulations and experimental data

(2015) Martin González-Andrade et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Lessons in Protein Design from Combined Evolution and Conformational Dynamics

(2015) Swarnendu Tripathi et al.   Scientific Reports

Calmodulin Inhibitors from Natural Sources: An Update

(2014) Rachel Mata et al.   JOURNAL OF NATURAL PRODUCTS

Synthesis and biological evaluation of a series of aminoalkyl-tetralones and tetralols as dual dopamine/serotonin ligands

(2013) Laura Carro et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Structural diversity of calmodulin binding to its target sites

(2013) Henning Tidow et al.   FEBS Journal

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

(2013) Romelia Salomon-Ferrer et al.   Journal of Chemical Theory and Computation

Chemosensitizing acridones: In vitro calmodulin dependent cAMP phosphodiesterase inhibition, docking, pharmacophore modeling and 3D QSAR studies

(2013) V.V.S. Rajendra Prasad et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Importance of the interaction protein-protein of the CaM-PDE1A and CaM-MLCK complexes in the development of new anti-CaM drugs

(2013) Martin González-Andrade et al.   JOURNAL OF MOLECULAR RECOGNITION

Antidepressant and antipsychotic activity of new quinoline- and isoquinoline-sulfonamide analogs of aripiprazole targeting serotonin 5-HT1A/5-HT2A/5-HT7 and dopamine D2/D3 receptors

(2012) Paweł Zajdel et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Dual effects of fluoxetine on mouse early embryonic development

(2012) Chang-Woon Kim et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

Vasorelaxant effect of flavonoids through calmodulin inhibition: Ex vivo, in vitro, and in silico approaches

(2010) Mariana Torres-Piedra et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

(2010) Tingjun Hou et al.   Journal of Chemical Information and Modeling

Fluorescence, circular dichroism, NMR, and docking studies of the interaction of the alkaloid malbrancheamide with calmodulin

(2010) Mario Figueroa et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Improved side-chain torsion potentials for the Amber ff99SB protein force field

(2010) Kresten Lindorff-Larsen et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Design Strategies of Fluorescent Biosensors Based on Biological Macromolecular Receptors

(2010) Kazuki Tainaka et al.   SENSORS

An alternative assay to discover potential calmodulin inhibitors using a human fluorophore-labeled CaM protein

(2009) Martín González-Andrade et al.   ANALYTICAL BIOCHEMISTRY

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

(2009) Oleg Trott et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Ligand-Dependent Equilibrium Fluctuations of Single Calmodulin Molecules

(2009) J. P. Junker et al.   SCIENCE

Calmodulin inhibitors from the fungus Emericella sp.

(2008) Mario Figueroa et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Molecular properties of psychopharmacological drugs determining non-competitive inhibition of 5-HT3A receptors

(2008) Johannes Kornhuber et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

The implementation of a fast and accurate QM/MM potential method in Amber

(2007) Ross C. Walker et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY